CID 92204729

5-(2-aminopropyl)-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C12H17N
SMILES
C[C@H](CC1=CC2=C(CCC2)C=C1)N
InChI
InChI=1S/C12H17N/c1-9(13)7-10-5-6-11-3-2-4-12(11)8-10/h5-6,8-9H,2-4,7,13H2,1H3/t9-/m1/s1
InChIKey
QYVNZHBQYJRLEX-SECBINFHSA-N
Compound name
(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

56
Patents

175.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 140.4
[M+Na]+ 198.125318 146.7
[M-H]- 174.128824 144.1
[M+NH4]+ 193.169923 163.0
[M+K]+ 214.099258 143.6
[M+H-H2O]+ 158.133360 134.7
[M+HCOO]- 220.134301 162.6
[M+CH3COO]- 234.149951 184.2
[M+Na-2H]- 196.110766 144.1
[M]+ 175.13555142 137.4
[M]- 175.13664858 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.